[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C17H17BrN2O4S MolecularWeight: 425.29688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)Br)NC(=O)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)Br)NC(=O)C)C

InChI

InChI=1S/C17H17BrN2O4S/c1-9-10(2)25-16(19-11(3)21)15(9)17(23)24-8-14(22)20-13-6-4-12(18)5-7-13/h4-7H,8H2,1-3H3,(H,19,21)(H,20,22)